872172-29-7

Basic information

• Product Name: 3-[6-({2-[2-tert-butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-hexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
• CAS NO: 872172-29-7
• Molecular Weight: 826.046
• Mol File: 872172-29-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-[6-({2-[2-tert-butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-hexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[6-({2-[2-tert-butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-hexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester(872172-29-7)
• EPA Substance Registry System: 3-[6-({2-[2-tert-butoxycarbonylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-hexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester(872172-29-7)

Safety Data

• Hazardous Substances Data: 872172-29-7(Hazardous Substances Data)

Upstream product

• 166410-31-7 N-fluorenylmethoxycarboxnyl-N'-tert-butoxycarbonylhexanediamine 
• 166410-37-3 Ν¹-(9-fluorenylmethyloxycarbonyl)-1,6-hexamethylenediamine 
• 115962-35-1 (3S)-2-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinole-3-carboxylic acid 
• 872172-26-4 3-[6-(9H-fluoren-9-ylmethoxycarbonylamino)-hexylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 

Relevant articles and documents

New series of potent δ-opioid antagonists containing the H-Dmt-Tic-NH-hexyl-NH-R motif

Heterodimeric compounds H-Dmt-Tic-NH-hexyl-NH-R (R = Dmt, Tic, and Phe) exhibited high affinity to δ- (Kiδ = 0.13-0.89 nM) and μ-opioid receptors (Kiμ = 0.38-2.81 nM) with extraordinary potent δ antagonism (pA2 = 10.2-10.4). These compounds represent the prototype for a new class of structural homologues lacking μ-opioid receptor-associated agonism (IC50 = 1.6-5.8 μM) based on the framework of bis-[H-Dmt-NH]-alkyl (Okada, Y.; Tsuda, Y.; Fujita, Y.; Yokoi, T.; Sasaki, Y.; Ambo, A.; Konishi, R.; Nagata, M.; Salvadori, S.; Jinsmaa, Y.; Bryant, S. D.; Lazarus, L. H. J. Med. Chem. 2003, 46, 3201), which exhibited both high μ affinity and bioactivity.